SCHEMBL6013565

SCHEMBL6013565

O=C(Nc1cc(OCC2CCCN2)cc(C(F)(F)F)c1)c1cccnc1NCc1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.67
FLT1 P17948 3/20 0.48
ABL1 P00519 2/20 0.48
EGFR P00533 2/20 0.48
CSF1R P07333 2/20 0.48
PDGFRB P09619 2/20 0.48
KIT P10721 2/20 0.48
FLT4 P35916 2/20 0.48
RET P07949 2/20 0.48
MAP3K20 Q9NYL2 2/20 0.48
RIPK3 Q9Y572 2/20 0.48
CIT O14578 1/20 0.48
MAP3K7 O43318 1/20 0.48
RIPK2 O43353 1/20 0.48
STK10 O94804 1/20 0.48
MAP4K4 O95819 1/20 0.48
RAF1 P04049 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
YES1 P07947 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL186584 1.00 KDR (0.67) KDRFLT1ABL1EGFRCSF1R
SCHEMBL6105084 0.94 KDR (0.58) KDRFLT1ABL1EGFRCSF1R
SCHEMBL6103204 0.94 KDR (0.58) KDRFLT1ABL1EGFRCSF1R
SCHEMBL446128 0.90 KDR (0.53) KDRFLT1ABL1EGFRCSF1R
SCHEMBL186234 0.86 KDR (0.71) KDRFLT1ABL1EGFRCSF1R
SCHEMBL6225912 0.85 KDR (0.63) KDRFLT1ABL1EGFRCSF1R
SCHEMBL6013581 0.85 KDR (0.63) KDRFLT1ABL1EGFRCSF1R
SCHEMBL447671 0.85 KDR (0.60) KDRFLT1ABL1EGFRCSF1R
SCHEMBL6267580 0.85 KDR (0.60) KDRFLT1ABL1EGFRCSF1R
SCHEMBL3146966 0.84 KDR (0.57) KDRFLT1ABL1EGFRCSF1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US claimed